SCHEMBL9299798

SCHEMBL9299798

Cc1cc2nc(C)n(COC(=O)C(C)(C)C)c(=O)c2cc1CN(C)c1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
NAMPT P43490 1/20 0.31
CASR P41180 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9298837 0.89 NAMPT (0.43) NAMPT
SCHEMBL9221939 0.88 HDAC1 (0.34) RAB9AMAPTATMPOLBGAA
SCHEMBL8485192 0.83
SCHEMBL9299316 0.82 TYMS (0.43) NAMPT
SCHEMBL8488020 0.80 NAMPT (0.34) NAMPT
SCHEMBL8489069 0.79 TYMS (0.40) NAMPTPOLBHDAC3HDAC4HDAC1
SCHEMBL9252306 0.79 NAMPT (0.53) NAMPT
SCHEMBL9389133 0.79 NAMPT (0.36) NAMPT
SCHEMBL9388319 0.79 EIF4EBP1 (0.33) CASRPOLB
SCHEMBL9388324 0.78 KMT2A (0.35) CASRPOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed